2-cyclopropyl-4,5-dimethyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide

C19H16N4OS3 — CID 55537025

IUPAC2-cyclopropyl-4,5-dimethyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C2CC2)nc2sc(C(=O)Nc3nc(-c4cccs4)cs3)c(C)c12
InChIInChI=1S/C19H16N4OS3/c1-9-14-10(2)20-16(11-5-6-11)22-18(14)27-15(9)17(24)23-19-21-12(8-26-19)13-4-3-7-25-13/h3-4,7-8,11H,5-6H2,1-2H3,(H,21,23,24)
InChIKeyGGHWMZPKMYPYKD-UHFFFAOYSA-N
MW412.57 g/mol
LogP5.62
Rot. Bonds4

About 2-cyclopropyl-4,5-dimethyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide

2-cyclopropyl-4,5-dimethyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 55537025) has the molecular formula C19H16N4OS3 and a molecular weight of 412.57 g/mol. Its IUPAC name is 2-cyclopropyl-4,5-dimethyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-4,5-dimethyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID55537025
Molecular FormulaC19H16N4OS3
Molecular Weight412.57 g/mol
Exact Mass412.05
IUPAC Name2-cyclopropyl-4,5-dimethyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C2CC2)nc2sc(C(=O)Nc3nc(-c4cccs4)cs3)c(C)c12
InChIInChI=1S/C19H16N4OS3/c1-9-14-10(2)20-16(11-5-6-11)22-18(14)27-15(9)17(24)23-19-21-12(8-26-19)13-4-3-7-25-13/h3-4,7-8,11H,5-6H2,1-2H3,(H,21,23,24)
InChIKeyGGHWMZPKMYPYKD-UHFFFAOYSA-N
XLogP5.62
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.57
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-cyclopropyl-4,5-dimethyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4,5-dimethyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-cyclopropyl-4,5-dimethyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 55537025) is 2-cyclopropyl-4,5-dimethyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-cyclopropyl-4,5-dimethyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-cyclopropyl-4,5-dimethyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(C2CC2)nc2sc(C(=O)Nc3nc(-c4cccs4)cs3)c(C)c12.
What is the InChIKey of 2-cyclopropyl-4,5-dimethyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is GGHWMZPKMYPYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS3/c1-9-14-10(2)20-16(11-5-6-11)22-18(14)27-15(9)17(24)23-19-21-12(8-26-19)13-4-3-7-25-13/h3-4,7-8,11H,5-6H2,1-2H3,(H,21,23,24).
What are the key properties of 2-cyclopropyl-4,5-dimethyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
2-cyclopropyl-4,5-dimethyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 412.57 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4,5-dimethyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 55537025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).